CCCBDB calculation results Page

State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C3	¹A

Energy calculated at HSEh1PBE/6-31G*

	hartrees
Energy at 0K	-732.847682
Energy at 298.15K
HF Energy	-732.847682
Nuclear repulsion energy	1285.182051

The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.

Vibrational Frequencies calculated at HSEh1PBE/6-31G*

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3076	4.76
2	A	3226	3068	25.21
3	A	3217	3059	28.63
4	A	3207	3050	0.02
5	A	3197	3041	6.40
6	A	3045	2896	10.19
7	A	1691	1608	0.00
8	A	1664	1583	2.94
9	A	1552	1476	1.27
10	A	1501	1428	11.98
11	A	1384	1317	0.20
12	A	1351	1285	2.15
13	A	1218	1158	0.40
14	A	1205	1146	0.00
15	A	1193	1135	0.03
16	A	1122	1067	11.69
17	A	1069	1017	0.16
18	A	1023	973	0.06
19	A	1003	954	0.05
20	A	979	931	0.00
21	A	940	894	1.13
22	A	867	825	0.00
23	A	841	800	2.94
24	A	750	714	25.49
25	A	720	684	22.76
26	A	675	642	3.40
27	A	632	601	0.46
28	A	479	455	2.24
29	A	419	398	0.01
30	A	272	259	0.08
31	A	216	205	0.46
32	A	89	85	0.22
33	A	43	41	0.00
34	E	3234	3075	31.04
34	E	3234	3075	31.04
35	E	3225	3067	20.61
35	E	3225	3067	20.59
36	E	3217	3059	7.86
36	E	3217	3059	7.86
37	E	3207	3050	0.01
37	E	3207	3050	0.01
38	E	3197	3040	6.11
38	E	3197	3040	6.11
39	E	1685	1603	11.34
39	E	1685	1603	11.34
40	E	1669	1587	0.57
40	E	1669	1587	0.57
41	E	1552	1476	23.02
41	E	1552	1476	23.01
42	E	1508	1434	5.33
42	E	1508	1434	5.33
43	E	1396	1327	2.07
43	E	1396	1327	2.07
44	E	1373	1305	0.10
44	E	1373	1305	0.10
45	E	1301	1238	3.30
45	E	1301	1238	3.30
46	E	1231	1171	0.79
46	E	1231	1171	0.79
47	E	1215	1156	2.04
47	E	1215	1156	2.04
48	E	1193	1135	0.04
48	E	1193	1135	0.04
49	E	1119	1064	0.60
49	E	1119	1064	0.60
50	E	1071	1019	7.60
50	E	1071	1019	7.60
51	E	1023	972	2.17
51	E	1023	972	2.17
52	E	1002	953	0.06
52	E	1002	953	0.06
53	E	977	929	0.04
53	E	977	929	0.03
54	E	939	893	1.91
54	E	939	893	1.91
55	E	888	845	0.86
55	E	888	845	0.86
56	E	865	822	0.01
56	E	865	822	0.01
57	E	775	737	20.96
57	E	775	737	20.96
58	E	719	683	34.65
58	E	719	683	34.65
59	E	636	605	3.08
59	E	636	605	3.08
60	E	618	588	13.63
60	E	618	588	13.63
61	E	507	482	3.03
61	E	507	482	3.03
62	E	415	395	0.23
62	E	415	395	0.23
63	E	301	286	0.59
63	E	301	286	0.59
64	E	234	223	0.65
64	E	234	223	0.65
65	E	64	61	0.10
65	E	64	61	0.10
66	E	27	26	0.06
66	E	27	26	0.06

Unscaled Zero Point Vibrational Energy (zpe) 64392.5 cm^-1
Scaled (by 0.951) Zero Point Vibrational Energy (zpe) 61237.3 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at HSEh1PBE/6-31G*

A	B	C
0.01301	0.01301	0.00759

See section I.F.4 to change rotational constant units

Geometric Data calculated at HSEh1PBE/6-31G*

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.748
H2	0.000	0.000	1.848
C3	0.000	1.464	0.330
C4	1.268	-0.732	0.330
C5	-1.268	-0.732	0.330
C6	0.700	1.929	-0.784
C7	1.321	-1.571	-0.784
C8	-2.021	-0.358	-0.784
C9	-0.755	2.378	1.073
C10	2.437	-0.535	1.073
C11	-1.682	-1.842	1.073
C12	0.644	3.274	-1.148
C13	2.513	-2.195	-1.148
C14	-3.157	-1.079	-1.148
C15	-0.810	3.720	0.715
C16	3.626	-1.158	0.715
C17	-2.816	-2.561	0.715
C18	-0.109	4.173	-0.401
C19	3.668	-1.992	-0.401
C20	-3.560	-2.181	-0.401
H21	1.303	1.237	-1.366
H22	0.420	-1.747	-1.366
H23	-1.722	0.510	-1.366
H24	-1.309	2.027	1.941
H25	2.410	0.120	1.941
H26	-1.101	-2.147	1.941
H27	1.198	3.618	-2.018
H28	2.534	-2.847	-2.018
H29	-3.732	-0.771	-2.018
H30	-1.398	4.414	1.309
H31	4.521	-0.996	1.309
H32	-3.123	-3.418	1.309
H33	-0.147	5.222	-0.682
H34	4.596	-2.484	-0.682
H35	-4.449	-2.739	-0.682

Atom - Atom Distances (Å)

	C1	H2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	H21	H22	H23	H24	H25	H26	H27	H28	H29	H30	H31	H32	H33	H34	H35
C1		1.0994	1.5227	1.5227	1.5227	2.5615	2.5615	2.5615	2.5156	2.5156	2.5156	3.8378	3.8378	3.8378	3.8068	3.8068	3.8068	4.3298	4.3298	4.3298	2.7742	2.7742	2.7742	2.6916	2.6916	2.6916	4.7088	4.7088	4.7088	4.6636	4.6636	4.6636	5.4163	5.4163	5.4163
H2	1.0994		2.1090	2.1090	2.1090	3.3376	3.3376	3.3376	2.6122	2.6122	2.6122	4.4840	4.4840	4.4840	3.9716	3.9716	3.9716	4.7415	4.7415	4.7415	3.6814	3.6814	3.6814	2.4147	2.4147	2.4147	5.4279	5.4279	5.4279	4.6609	4.6609	4.6609	5.8042	5.8042	5.8042
C3	1.5227	2.1090		2.5358	2.5358	1.3957	3.4925	2.9403	1.3988	3.2382	3.7833	2.4235	4.6783	4.3149	2.4272	4.4916	4.9276	2.8079	5.0929	5.1468	2.1503	3.6551	2.5984	2.1510	3.1952	4.1047	3.4034	5.5237	4.9430	3.4080	5.2396	5.8775	3.8945	6.1425	6.2029
C4	1.5227	2.1090	2.5358		2.5358	2.9403	1.3957	3.4925	3.7833	1.3988	3.2382	4.3149	2.4235	4.6783	4.9276	2.4272	4.4916	5.1468	2.8079	5.0929	2.5984	2.1503	3.6551	4.1047	2.1510	3.1952	4.9430	3.4034	5.5237	5.8775	3.4080	5.2396	6.2029	3.8945	6.1425
C5	1.5227	2.1090	2.5358	2.5358		3.4925	2.9403	1.3957	3.2382	3.7833	1.3988	4.6783	4.3149	2.4235	4.4916	4.9276	2.4272	5.0929	5.1468	2.8079	3.6551	2.5984	2.1503	3.1952	4.1047	2.1510	5.5237	4.9430	3.4034	5.2396	5.8775	3.4080	6.1425	6.2029	3.8945
C6	2.5615	3.3376	1.3957	2.9403	3.4925		3.5549	3.5549	2.4016	3.5407	4.8321	1.3940	4.5195	4.9054	2.7810	4.5101	5.8972	2.4161	4.9330	5.9319	1.0866	3.7321	2.8674	3.3875	3.6907	5.2238	2.1492	5.2621	5.3347	3.8678	5.2478	6.8987	3.4017	5.8871	6.9507
C7	2.5615	3.3376	3.4925	1.3957	2.9403	3.5549		3.5549	4.8321	2.4016	3.5407	4.9054	1.3940	4.5195	5.8972	2.7810	4.5101	5.9319	2.4161	4.9330	2.8674	1.0866	3.7321	5.2238	3.3875	3.6907	5.3347	2.1492	5.2621	6.8987	3.8678	5.2478	6.9507	3.4017	5.8871
C8	2.5615	3.3376	2.9403	3.4925	1.3957	3.5549	3.5549		3.5407	4.8321	2.4016	4.5195	4.9054	1.3940	4.5101	5.8972	2.7810	4.9330	5.9319	2.4161	3.7321	2.8674	1.0866	3.6907	5.2238	3.3875	5.2621	5.3347	2.1492	5.2478	6.8987	3.8678	5.8871	6.9507	3.4017
C9	2.5156	2.6122	1.3988	3.7833	3.2382	2.4016	4.8321	3.5407		4.3208	4.3208	2.7735	6.0430	4.7594	1.3898	5.6413	5.3637	2.4108	6.3901	5.5514	3.3886	4.9331	3.2204	1.0882	3.9830	4.6204	3.8603	6.9034	5.3224	2.1482	6.2669	6.2651	3.3968	7.4391	6.5498
C10	2.5156	2.6122	3.2382	1.3988	3.7833	3.5407	2.4016	4.8321	4.3208		4.3208	4.7594	2.7735	6.0430	5.3637	1.3898	5.6413	5.5514	2.4108	6.3900	3.2204	3.3886	4.9331	4.6204	1.0882	3.9830	5.3224	3.8603	6.9034	6.2651	2.1482	6.2669	6.5498	3.3968	7.4391
C11	2.5156	2.6122	3.7833	3.2382	1.3988	4.8321	3.5407	2.4016	4.3208	4.3208		6.0430	4.7594	2.7735	5.6413	5.3637	1.3898	6.3900	5.5514	2.4108	4.9331	3.2204	3.3886	3.9830	4.6204	1.0882	6.9034	5.3224	3.8603	6.2669	6.2651	2.1482	7.4391	6.5498	3.3968
C12	3.8378	4.4840	2.4235	4.3149	4.6783	1.3940	4.9054	4.5195	2.7735	4.7594	6.0430		5.7791	5.7791	2.4049	5.6574	7.0350	1.3909	6.1185	6.9271	2.1520	5.0302	3.6452	3.8616	4.7542	6.4787	1.0869	6.4641	6.0224	3.3926	6.2689	8.0627	2.1540	6.9986	7.8934
C13	3.8378	4.4840	4.6783	2.4235	4.3149	4.5195	1.3940	4.9054	6.0430	2.7735	4.7594	5.7791		5.7791	7.0350	2.4049	5.6574	6.9271	1.3909	6.1185	3.6452	2.1520	5.0302	6.4787	3.8616	4.7542	6.0224	1.0869	6.4641	8.0627	3.3926	6.2689	7.8934	2.1540	6.9986
C14	3.8378	4.4840	4.3149	4.6783	2.4235	4.9054	4.5195	1.3940	4.7594	6.0430	2.7735	5.7791	5.7791		5.6574	7.0350	2.4049	6.1185	6.9271	1.3909	5.0302	3.6452	2.1520	4.7542	6.4787	3.8616	6.4641	6.0224	1.0869	6.2689	8.0627	3.3926	6.9986	7.8934	2.1540
C15	3.8068	3.9716	2.4272	4.9276	4.4916	2.7810	5.8972	4.5101	1.3898	5.3637	5.6413	2.4049	7.0350	5.6574		6.5933	6.5933	1.3934	7.3433	6.6046	3.8675	5.9766	3.9323	2.1488	4.9823	6.0005	3.3926	7.8587	6.0142	1.0868	7.1421	7.5262	2.1558	8.3457	7.5431
C16	3.8068	3.9716	4.4916	2.4272	4.9276	4.5101	2.7810	5.8972	5.6413	1.3898	5.3637	5.6574	2.4049	7.0350	6.5933		6.5933	6.6046	1.3934	7.3433	3.9323	3.8675	5.9766	6.0005	2.1488	4.9823	6.0142	3.3926	7.8587	7.5262	1.0868	7.1421	7.5431	2.1558	8.3458
C17	3.8068	3.9716	4.9276	4.4916	2.4272	5.8972	4.5101	2.7810	5.3637	5.6413	1.3898	7.0350	5.6574	2.4049	6.5933	6.5933		7.3433	6.6046	1.3934	5.9766	3.9323	3.8675	4.9823	6.0005	2.1488	7.8587	6.0142	3.3926	7.1421	7.5262	1.0868	8.3457	7.5431	2.1558
C18	4.3298	4.7415	2.8079	5.1468	5.0929	2.4161	5.9319	4.9330	2.4108	5.5514	6.3900	1.3909	6.9271	6.1185	1.3934	6.6046	7.3433		7.2306	7.2306	3.3982	6.0212	4.1175	3.3956	5.3153	6.8127	2.1522	7.6730	6.3393	2.1551	7.1471	8.3445	1.0866	8.1564	8.1661
C19	4.3298	4.7415	5.0929	2.8079	5.1468	4.9330	2.4161	5.9319	6.3901	2.4108	5.5514	6.1185	1.3909	6.9271	7.3433	1.3934	6.6046	7.2306		7.2306	4.1175	3.3982	6.0212	6.8127	3.3956	5.3153	6.3393	2.1522	7.6730	8.3445	2.1551	7.1471	8.1661	1.0866	8.1564
C20	4.3298	4.7415	5.1468	5.0929	2.8079	5.9319	4.9330	2.4161	5.5514	6.3900	2.4108	6.9271	6.1185	1.3909	6.6046	7.3433	1.3934	7.2306	7.2306		6.0212	4.1175	3.3982	5.3153	6.8127	3.3956	7.6730	6.3393	2.1522	7.1471	8.3445	2.1551	8.1564	8.1661	1.0866
H21	2.7742	3.6814	2.1503	2.5984	3.6551	1.0866	2.8674	3.7321	3.3886	3.2204	4.9331	2.1520	3.6452	5.0302	3.8675	3.9323	5.9766	3.3982	4.1175	6.0212		3.1114	3.1114	4.2874	3.6614	5.3068	2.4707	4.3142	5.4595	4.9543	4.7433	6.9576	4.2958	5.0152	7.0251
H22	2.7742	3.6814	3.6551	2.1503	2.5984	3.7321	1.0866	2.8674	4.9331	3.3886	3.2204	5.0302	2.1520	3.6452	5.9766	3.8675	3.9323	6.0212	3.3982	4.1175	3.1114		3.1114	5.3068	4.2874	3.6614	5.4595	2.4707	4.3142	6.9576	4.9543	4.7433	7.0251	4.2958	5.0152
H23	2.7742	3.6814	2.5984	3.6551	2.1503	2.8674	3.7321	1.0866	3.2204	4.9331	3.3886	3.6452	5.0302	2.1520	3.9323	5.9766	3.8675	4.1175	6.0212	3.3982	3.1114	3.1114		3.6614	5.3068	4.2874	4.3142	5.4595	2.4707	4.7433	6.9576	4.9543	5.0152	7.0251	4.2958
H24	2.6916	2.4147	2.1510	4.1047	3.1952	3.3875	5.2238	3.6907	1.0882	4.6204	3.9830	3.8616	6.4787	4.7542	2.1488	6.0005	4.9823	3.3956	6.8127	5.3153	4.2874	5.3068	3.6614		4.1792	4.1792	4.9485	7.3612	5.4192	2.4705	6.5978	5.7734	4.2939	7.8799	6.2805
H25	2.6916	2.4147	3.1952	2.1510	4.1047	3.6907	3.3875	5.2238	3.9830	1.0882	4.6204	4.7542	3.8616	6.4787	4.9823	2.1488	6.0005	5.3153	3.3956	6.8127	3.6614	4.2874	5.3068	4.1792		4.1792	5.4192	4.9485	7.3612	5.7734	2.4705	6.5978	6.2805	4.2939	7.8799
H26	2.6916	2.4147	4.1047	3.1952	2.1510	5.2238	3.6907	3.3875	4.6204	3.9830	1.0882	6.4787	4.7542	3.8616	6.0005	4.9823	2.1488	6.8127	5.3153	3.3956	5.3068	3.6614	4.2874	4.1792	4.1792		7.3612	5.4192	4.9485	6.5978	5.7734	2.4705	7.8799	6.2805	4.2939
H27	4.7088	5.4279	3.4034	4.9430	5.5237	2.1492	5.3347	5.2621	3.8603	5.3224	6.9034	1.0869	6.0224	6.4641	3.3926	6.0142	7.8587	2.1522	6.3393	7.6730	2.4707	5.4595	4.3142	4.9485	5.4192	7.3612		6.6007	6.6007	4.2946	6.5874	8.9016	2.4838	7.1100	8.6067
H28	4.7088	5.4279	5.5237	3.4034	4.9430	5.2621	2.1492	5.3347	6.9034	3.8603	5.3224	6.4641	1.0869	6.0224	7.8587	3.3926	6.0142	7.6730	2.1522	6.3393	4.3142	2.4707	5.4595	7.3612	4.9485	5.4192	6.6007		6.6007	8.9016	4.2946	6.5874	8.6067	2.4838	7.1100
H29	4.7088	5.4279	4.9430	5.5237	3.4034	5.3347	5.2621	2.1492	5.3224	6.9034	3.8603	6.0224	6.4641	1.0869	6.0142	7.8587	3.3926	6.3393	7.6730	2.1522	5.4595	4.3142	2.4707	5.4192	7.3612	4.9485	6.6007	6.6007		6.5874	8.9016	4.2946	7.1100	8.6067	2.4838
H30	4.6636	4.6609	3.4080	5.8775	5.2396	3.8678	6.8987	5.2478	2.1482	6.2651	6.2669	3.3926	8.0627	6.2689	1.0868	7.5262	7.1421	2.1551	8.3445	7.1471	4.9543	6.9576	4.7433	2.4705	5.7734	6.5978	4.2946	8.9016	6.5874		8.0189	8.0189	2.4866	9.3523	8.0263
H31	4.6636	4.6609	5.2396	3.4080	5.8775	5.2478	3.8678	6.8987	6.2669	2.1482	6.2651	6.2689	3.3926	8.0627	7.1421	1.0868	7.5262	7.1471	2.1551	8.3445	4.7433	4.9543	6.9576	6.5978	2.4705	5.7734	6.5874	4.2946	8.9016	8.0189		8.0189	8.0263	2.4866	9.3523
H32	4.6636	4.6609	5.8775	5.2396	3.4080	6.8987	5.2478	3.8678	6.2651	6.2669	2.1482	8.0627	6.2689	3.3926	7.5262	7.1421	1.0868	8.3445	7.1471	2.1551	6.9576	4.7433	4.9543	5.7734	6.5978	2.4705	8.9016	6.5874	4.2946	8.0189	8.0189		9.3523	8.0263	2.4866
H33	5.4163	5.8042	3.8945	6.2029	6.1425	3.4017	6.9507	5.8871	3.3968	6.5498	7.4391	2.1540	7.8934	6.9986	2.1558	7.5431	8.3457	1.0866	8.1661	8.1564	4.2958	7.0251	5.0152	4.2939	6.2805	7.8799	2.4838	8.6067	7.1100	2.4866	8.0263	9.3523		9.0484	9.0484
H34	5.4163	5.8042	6.1425	3.8945	6.2029	5.8871	3.4017	6.9507	7.4391	3.3968	6.5498	6.9986	2.1540	7.8934	8.3457	2.1558	7.5431	8.1564	1.0866	8.1661	5.0152	4.2958	7.0251	7.8799	4.2939	6.2805	7.1100	2.4838	8.6067	9.3523	2.4866	8.0263	9.0484		9.0484
H35	5.4163	5.8042	6.2029	6.1425	3.8945	6.9507	5.8871	3.4017	6.5498	7.4391	3.3968	7.8934	6.9986	2.1540	7.5431	8.3458	2.1558	8.1661	8.1564	1.0866	7.0251	5.0152	4.2958	6.2805	7.8799	4.2939	8.6067	7.1100	2.4838	8.0263	9.3523	2.4866	9.0484	9.0484

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.672	C1	C3	C9	118.812
C1	C4	C7	122.672	C1	C4	C10	118.812
C1	C5	C8	122.672	C1	C5	C11	118.812
H2	C1	C3	105.956	H2	C1	C4	105.956
H2	C1	C5	105.956	C3	C1	C4	112.746
C3	C1	C5	112.746	C3	C6	C12	120.626
C3	C6	H21	119.536	C3	C9	C15	121.011
C3	C9	H24	119.221	C4	C1	C5	112.746
C4	C7	C13	120.626	C4	C7	H22	119.536
C4	C10	C16	121.011	C4	C10	H25	119.221
C5	C8	C14	120.626	C5	C8	H23	119.536
C5	C11	C17	121.011	C5	C11	H26	119.221
C6	C3	C9	118.501	C6	C12	C18	120.353
C6	C12	H27	119.555	C7	C4	C10	118.501
C7	C13	C19	120.353	C7	C13	H28	119.555
C8	C5	C11	118.501	C8	C14	C20	120.353
C8	C14	H29	119.555	C9	C15	C18	120.034
C9	C15	H30	119.814	C10	C16	C19	120.034
C10	C16	H31	119.814	C11	C17	C20	120.034
C11	C17	H32	119.814	C12	C5	H21	26.466
C12	C18	C15	119.475	C12	C18	H33	120.282
C13	C7	H22	119.834	C13	C19	C16	119.475
C13	C19	H34	120.282	C14	C8	H23	119.834
C14	C20	C17	119.475	C14	C20	H35	120.282
C15	C9	H24	119.768	C15	C18	H33	120.243
C16	C10	H25	119.768	C16	C19	H34	120.243
C17	C11	H26	119.768	C17	C20	H35	120.243
C18	C12	H27	120.091	C18	C15	H30	120.151
C19	C13	H28	120.091	C19	C16	H31	120.151
C20	C14	H29	120.091	C20	C17	H32	120.151

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at HSEh1PBE/6-31G* Charges (e)

Number	Element	Mulliken
1	C	-0.369
2	H	0.181
3	C	0.123
4	C	0.123
5	C	0.123
6	C	-0.204
7	C	-0.204
8	C	-0.204
9	C	-0.191
10	C	-0.191
11	C	-0.191
12	C	-0.171
13	C	-0.171
14	C	-0.171
15	C	-0.168
16	C	-0.168
17	C	-0.168
18	C	-0.165
19	C	-0.165
20	C	-0.165
21	H	0.178
22	H	0.178
23	H	0.178
24	H	0.165
25	H	0.165
26	H	0.165
27	H	0.166
28	H	0.166
29	H	0.166
30	H	0.165
31	H	0.165
32	H	0.165
33	H	0.164
34	H	0.164
35	H	0.164

Electric dipole moments
Electric dipole components in Debye
(What's a Debye? See section VII.A.3)

	x	y	z	Total
	0.000	0.000	0.052	0.052
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-104.067	0.000	0.000
y	0.000	-104.067	0.000
z	0.000	0.000	-103.587

Traceless
	x	y	z
x	-0.240	0.000	0.000
y	0.000	-0.240	0.000
z	0.000	0.000	0.480

Polar
3z²-r²	0.961
x²-y²	0.000
xy	0.000
xz	0.000
yz	0.000

Polarizabilities
Components of the polarizability tensor.
Units are Å³ (Angstrom cubed)
Change units.

	x	y	z
x	29.680	0.000	0.000
y	0.000	29.681	0.000
z	0.000	0.000	22.524

<r²> (average value of r²) Å²

<r²>	1395.093
(<r²>)^1/2	37.351

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C19H16 (Triphenylmethane)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)